HRID1125916

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID23511867

未命名化合物

HCID23512388

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OCC2CC(F)(F)CN2C(=O)Cc2ccc(NC(=O)Nc3ccccc3Cl)c(OC)c2)cc1

HCID69333413

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-402cc6a24620413da6e55d43558aebaa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:43]([Cl:44])[CH2:45][Cl:46].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[Cl:20][c:21]1[c:22]([NH:27][C:28]([NH:29][c:30]2[c:31]([O:40][CH3:41])[cH:32][c:33]([CH2:36][C:37](=[O:38])[OH:39])[cH:34][cH:35]2)=[O:42])[cH:23][cH:24][cH:25][cH:26]1.[ClH:47].[F:1][C:2]1([F:19])[CH2:3][CH:4]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18]2)[NH:5][CH2:6]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]1>>[F:1][C:2]1([F:19])[CH2:3][CH:4]([CH2:7][O:8][c:9]2[cH:10][cH:11][c:12]([C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18]2)[N:5]([C:37]([CH2:36][c:33]2[cH:32][c:31]([O:40][CH3:41])[c:30]([NH:29][C:28]([NH:27][c:22]3[c:21]([Cl:20])[cH:26][cH:25][cH:24][cH:23]3)=[O:42])[cH:35][cH:34]2)=[O:38])[CH2:6]1